2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine;dihydrochloride

C6H12Cl2N6 — CID 23338975

IUPAC2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine;dihydrochloride
SMILESCl.Cl.Nc1nc(N)nc(NC2CC2)n1
InChIInChI=1S/C6H10N6.2ClH/c7-4-10-5(8)12-6(11-4)9-3-1-2-3;;/h3H,1-2H2,(H5,7,8,9,10,11,12);2*1H
InChIKeyJZEYEFPJLKBQEE-UHFFFAOYSA-N
MW239.11 g/mol
LogP0.45
Rot. Bonds2

About 2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine;dihydrochloride

2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine;dihydrochloride (PubChem CID 23338975) has the molecular formula C6H12Cl2N6 and a molecular weight of 239.11 g/mol. Its IUPAC name is 2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine;dihydrochloride.

Molecular Properties

Compound Name2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine;dihydrochloride
PubChem CID23338975
Molecular FormulaC6H12Cl2N6
Molecular Weight239.11 g/mol
Exact Mass238.05
IUPAC Name2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine;dihydrochloride
SMILESCl.Cl.Nc1nc(N)nc(NC2CC2)n1
InChIInChI=1S/C6H10N6.2ClH/c7-4-10-5(8)12-6(11-4)9-3-1-2-3;;/h3H,1-2H2,(H5,7,8,9,10,11,12);2*1H
InChIKeyJZEYEFPJLKBQEE-UHFFFAOYSA-N
XLogP0.45
TPSA102.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.11
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine;dihydrochloride?
The IUPAC name of 2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine;dihydrochloride (CID 23338975) is 2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine;dihydrochloride.
What is the SMILES notation for 2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine;dihydrochloride?
The canonical SMILES for 2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine;dihydrochloride is Cl.Cl.Nc1nc(N)nc(NC2CC2)n1.
What is the InChIKey of 2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine;dihydrochloride?
The InChIKey is JZEYEFPJLKBQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N6.2ClH/c7-4-10-5(8)12-6(11-4)9-3-1-2-3;;/h3H,1-2H2,(H5,7,8,9,10,11,12);2*1H.
What are the key properties of 2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine;dihydrochloride?
2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine;dihydrochloride has a molecular weight of 239.11 g/mol, XLogP of 0.45, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine;dihydrochloride is sourced from PubChem (CID 23338975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).